2,3-Difluorobenzyl bromide

Base Information

• Chemical Name: 2,3-Difluorobenzyl bromide
• CAS No.: 113211-94-2
• Molecular Formula: C7H5BrF2
• Molecular Weight: 207.018
• Hs Code.: 29049090
• Mol file: 113211-94-2.mol

Synonyms:1-Bromomethyl-2,3-difluorobenzene;a-Bromo-2,3-difluorotoluene;

Chemical Property of 2,3-Difluorobenzyl bromide

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 98.1mmHg at 25°C
• Refractive Index: n20/D 1.528(lit.)
• Boiling Point: 190.5 °C at 760 mmHg
• Flash Point: 69 °C
• PSA: 0.00000
• Density: 1.625 g/cm³
• LogP: 2.85970
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Lachrymatory

Purity/Quality:

98% ^*data from raw suppliers

2,3-Difluorobenzyl bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 34-36/37/38
• Safety Statements: 26-36/37/39-45-25-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2,3-Difluorobenzyl bromide was used in the synthesis of chemokine antagonists.

Technology Process of 2,3-Difluorobenzyl bromide

There total 3 articles about 2,3-Difluorobenzyl bromide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 61.0%

(2,3-difluoro-phenyl)-methanol (75853-18-8) → 2,3-difluorobenzyl bromide (113211-94-2)

Guidance literature:

With phosphorus tribromide; In toluene; at 100 ℃; for 1h;

DOI:10.1021/jm00400a019

Reference yield:

2,3-difluorobenzoic acid (4519-39-5) → 2,3-difluorobenzyl bromide (113211-94-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 40 percent / B₂H₆ / tetrahydrofuran / 1.5 h

2: 61 percent / PBr₃ / toluene / 1 h / 100 °C

With phosphorus tribromide; diborane; In tetrahydrofuran; toluene;

DOI:10.1021/jm00400a019

Reference yield:

2,3-difluorobenzaldehyde (2646-91-5) → 2,3-difluorobenzyl bromide (113211-94-2)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol; sodium tetrahydroborate / 1 h / 0 - 50 °C

2: phosphorus tribromide / diethyl ether / 1.25 h / -10 °C

With methanol; sodium tetrahydroborate; phosphorus tribromide; In diethyl ether;

upstream raw materials:

(2,3-difluoro-phenyl)-methanol

2,3-difluorobenzoic acid

2,3-difluorobenzaldehyde

Downstream raw materials:

6-amino-2-[[(2,3-difluorophenyl)methyl]thio]-4-pyrimidinol

methyl 2-[(2,3-difluorophenyl)methyl]-3-oxobutanoate

Refernces

• 1、 Kelley,Krochmal,Linn,McLean,Soroko. "9-(2-fluorobenzyl)-6-(alkylamino)-9H-purines. A new class of anticonvulsant agents". . p. 1005 - 1009. Retrieved 2007/10/02.